Information card for entry 4069654

Structure parameters

• Formula: C26 H22 O4 Ru2
• Calculated formula: C26 H22 O4 Ru2
• SMILES: C1(=O)[Ru]23456([c]78c(ccc([c]58[cH]4[cH]3[cH]27)C)C)(C(=O)[Ru]234516(C#[O])[c]16[c]5([cH]4[cH]3[cH]21)c(ccc6C)C)C#[O]
• Title of publication: Reactions of Dihydrooctamethyl-s-indacene and 1,2,3,4,7-Pentamethylindene with Ru3(CO)12: Intramolecular sp3C−H Activation
• Authors of publication: Xu, Kun; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4438
• a: 9.1989 ± 0.0018 Å
• b: 6.4973 ± 0.0013 Å
• c: 18.873 ± 0.004 Å
• α: 90°
• β: 100.89 ± 0.03°
• γ: 90°
• Cell volume: 1107.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No